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E1/E2/E3酶
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AvadomideCAS号: 1015474-32-4分子式: C14H14N4O3 分子量: 286.29IUPAC Name: 3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dioneSMILES: CC1=NC2=CC=CC(=C2C(=O)N1C3CCC(=O)NC3=O)NInChIKey: RSNPAKAFCAAMBH-UHFFFAOYSA-NInChI: 1S/C14H14N4O3/c1-7-16-9-4-2-3-8(15)12(9)14(21)18(7)10-5-6-11(19)17-13(10)20/h2-4,10H,5-6,15H2,1H3,(H,17,19,20)
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NVP-CGM097CAS号: 1313363-54-0分子式: C38H47ClN4O4 分子量: 659.26IUPAC Name: (1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-[methyl-[[4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl]amino]phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-oneSMILES: CC(C)OC1=C(C=C2CC(=O)N(C(C2=C1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)N(C)CC5CCC(CC5)N6CCN(C(=O)C6)C)OCInChIKey: CLRSLRWKONPSRQ-CPOWQTMSSA-NInChI: See more
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TAK-243 (MLN7243)CAS号: 1450833-55-2 Compound CID : 71715374分子式: C19H20F3N5O5S2 分子量: 519.52IUPAC Name: [(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamateSMILES: C1C(C(C(C1NC2=CC=NC3=CC(=NN23)C4=CC(=CC=C4)SC(F)(F)F)O)O)COS(=O)(=O)NInChIKey: KJDAGXLMHXUAGV-DGWLBADLSA-NInChI: 1S/C19H20F3N5O5S2/c20-19(21,22)33-12-3-1-2-10(6-12)13-8-16-24-5-4-15(27(16)26-13)25-14-7-11(17(28)18(14)29)9-32-34(23,30)31/h1-6,8,11,14,17-18,25,28-29H,7,9H2,(H2,23,30,31)/t11-,14-,17-,18+/m1/s1
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MX69CAS号: 1005264-47-0分子式: C27H26N2O4S 分子量: 474.57IUPAC Name: 4-[8-[(3,4-dimethylphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acidSMILES: CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=CC=C(C=C5)C(=O)O)CInChIKey: XCBONKHCCRJMNW-UHFFFAOYSA-NInChI: 1S/C27H26N2O4S/c1-16-6-11-20(14-17(16)2)29-34(32,33)21-12-13-25-24(15-21)22-4-3-5-23(22)26(28-25)18-7-9-19(10-8-18)27(30)31/h3-4,6-15,22-23,26,28-29H,5H2,1-2H3,(H,30,31)
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思瑞德林CAS号: 1448867-41-1分子式: C26H24Cl2N6O4 分子量: 555.41IUPAC Name: (4S)-5-(5-chloro-1-methyl-2-oxopyridin-3-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-oneSMILES: CC(C)N1C2=C(C(=O)N(C2C3=CC=C(C=C3)Cl)C4=CC(=CN(C4=O)C)Cl)N=C1C5=CN=C(N=C5OC)OCInChIKey: AGBSXNCBIWWLHD-FQEVSTJZSA-NInChI: 1S/C26H24Cl2N6O4/c1-13(2)33-21-19(30-22(33)17-11-29-26(38-5)31-23(17)37-4)25(36)34(18-10-16(28)12-32(3)24(18)35)20(21)14-6-8-15(27)9-7-14/h6-13,20H,1-5H3/t20-/m0/s1
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ML792CAS号: 1644342-14-2 Compound CID : 86566743分子式: C21H23BrN6O5S 分子量: 551.41IUPAC Name: [(1R,2S,4R)-4-[[5-[1-[(3-bromophenyl)methyl]pyrazole-3-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamateSMILES: C1C(CC(C1COS(=O)(=O)N)O)NC2=NC=NC=C2C(=O)C3=NN(C=C3)CC4=CC(=CC=C4)BrInChIKey: PZCKLTWSXFDLLP-OGWOLHLISA-NInChI: See more
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Subasumstat (TAK-981)CAS号: 1858276-04-6 Compound CID : 118628567分子式: C25H28ClN5O5S2 分子量: 578.10IUPAC Name: [(1R,2S,4R)-4-[[5-[4-[(1R)-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamateSMILES: CC1=C(C=C(S1)C(=O)C2=CN=CN=C2NC3CC(C(C3)O)COS(=O)(=O)N)C4C5=C(CCN4)C=CC(=C5)ClInChIKey: LXRZVMYMQHNYJB-UNXOBOICSA-NInChI: See more
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CC-92480CAS号: 2259648-80-9分子式: C32H30FN5O4 分子量: 567.61IUPAC Name: 4-[4-[[4-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]-3-fluorobenzonitrileSMILES: C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3OCC4=CC=C(C=C4)CN5CCN(CC5)C6=C(C=C(C=C6)C#N)FInChIKey: YTINZZFBHWSAGL-NDEPHWFRSA-NInChI: 1S/C32H30FN5O4/c33-26-16-23(17-34)8-9-27(26)37-14-12-36(13-15-37)18-21-4-6-22(7-5-21)20-42-29-3-1-2-24-25(29)19-38(32(24)41)28-10-11-30(39)35-31(28)40/h1-9,16,28H,10-15,18-20H2,(H,35,39,40)/t28-/m0/s1
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BC1618CAS号: 2222094-18-8分子式: C24H24F3NO2 分子量: 415.45IUPAC Name: 1-(dibenzylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-olSMILES: C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)C(F)(F)F)OInChIKey: LGTYABNNHILKHF-UHFFFAOYSA-NInChI: 1S/C24H24F3NO2/c25-24(26,27)21-11-13-23(14-12-21)30-18-22(29)17-28(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-14,22,29H,15-18H2
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银杏酸(C15:1)CAS号: 22910-60-7分子式: C22H34O3 分子量: 346.5IUPAC Name: 2-hydroxy-6-[(Z)-pentadec-8-enyl]benzoic acidSMILES: CCCCCCC=CCCCCCCCC1=C(C(=CC=C1)O)C(=O)OInChIKey: YXHVCZZLWZYHSA-FPLPWBNLSA-NInChI: 1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7-
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RG7388CAS号: 1229705-06-9 Compound CID : 53358942分子式: C31H29Cl2F2N3O4 分子量: 616.48IUPAC Name: 4-[[(2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carbonyl]amino]-3-methoxybenzoic acidSMILES: CC(C)(C)CC1C(C(C(N1)C(=O)NC2=C(C=C(C=C2)C(=O)O)OC)C3=C(C(=CC=C3)Cl)F)(C#N)C4=C(C=C(C=C4)Cl)FInChIKey: TVTXCJFHQKSQQM-LJQIRTBHSA-NInChI: See more
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JNJ-26854165 (Serdemetan)CAS号: 881202-45-5 Compound CID : 11609586分子式: C21H20N4 分子量: 328.42IUPAC Name: 1-N-[2-(1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamineSMILES: C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4InChIKey: CEGSUKYESLWKJP-UHFFFAOYSA-NInChI: 1S/C21H20N4/c1-2-4-21-20(3-1)16(15-24-21)9-14-23-17-5-7-18(8-6-17)25-19-10-12-22-13-11-19/h1-8,10-13,15,23-24H,9,14H2,(H,22,25)
